data_30348 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai ; _BMRB_accession_number 30348 _BMRB_flat_file_name bmr30348.str _Entry_type original _Submission_date 2017-09-22 _Accession_date 2017-09-22 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Valleau D. . . 2 Houliston S. . . 3 Lemak A. . . 4 Anderson W. F. . 5 Arrowsmith C. . . 6 Savchenko A. . . 7 'Center for Structural Genomics of Infectious Diseases (CSGID)' CSGID . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 581 "13C chemical shifts" 438 "15N chemical shifts" 97 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2017-11-13 original BMRB . stop_ _Original_release_date 2017-11-01 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the N-terminal domain of the effector NleG5-1 from Escherichia coli O157:H7 str. Sakai ; _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Valleau D. . . 2 Savchenko A. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NleG5-1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 15676.563 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; MGSSHHHHHHSSGRENLYFQ GMPVDLTPYILPGVSFLSDI PQETLSEIRNQTIRGEAQIR LGELMVSIRPMQVNGYFMGS LNQDGLSNDNIQIGLQYIEH IERTLNHGSLTSREVTVLRE IEMLENMDLLSNYQLEE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -20 MET 2 -19 GLY 3 -18 SER 4 -17 SER 5 -16 HIS 6 -15 HIS 7 -14 HIS 8 -13 HIS 9 -12 HIS 10 -11 HIS 11 -10 SER 12 -9 SER 13 -8 GLY 14 -7 ARG 15 -6 GLU 16 -5 ASN 17 -4 LEU 18 -3 TYR 19 -2 PHE 20 -1 GLN 21 0 GLY 22 1 MET 23 2 PRO 24 3 VAL 25 4 ASP 26 5 LEU 27 6 THR 28 7 PRO 29 8 TYR 30 9 ILE 31 10 LEU 32 11 PRO 33 12 GLY 34 13 VAL 35 14 SER 36 15 PHE 37 16 LEU 38 17 SER 39 18 ASP 40 19 ILE 41 20 PRO 42 21 GLN 43 22 GLU 44 23 THR 45 24 LEU 46 25 SER 47 26 GLU 48 27 ILE 49 28 ARG 50 29 ASN 51 30 GLN 52 31 THR 53 32 ILE 54 33 ARG 55 34 GLY 56 35 GLU 57 36 ALA 58 37 GLN 59 38 ILE 60 39 ARG 61 40 LEU 62 41 GLY 63 42 GLU 64 43 LEU 65 44 MET 66 45 VAL 67 46 SER 68 47 ILE 69 48 ARG 70 49 PRO 71 50 MET 72 51 GLN 73 52 VAL 74 53 ASN 75 54 GLY 76 55 TYR 77 56 PHE 78 57 MET 79 58 GLY 80 59 SER 81 60 LEU 82 61 ASN 83 62 GLN 84 63 ASP 85 64 GLY 86 65 LEU 87 66 SER 88 67 ASN 89 68 ASP 90 69 ASN 91 70 ILE 92 71 GLN 93 72 ILE 94 73 GLY 95 74 LEU 96 75 GLN 97 76 TYR 98 77 ILE 99 78 GLU 100 79 HIS 101 80 ILE 102 81 GLU 103 82 ARG 104 83 THR 105 84 LEU 106 85 ASN 107 86 HIS 108 87 GLY 109 88 SER 110 89 LEU 111 90 THR 112 91 SER 113 92 ARG 114 93 GLU 115 94 VAL 116 95 THR 117 96 VAL 118 97 LEU 119 98 ARG 120 99 GLU 121 100 ILE 122 101 GLU 123 102 MET 124 103 LEU 125 104 GLU 126 105 ASN 127 106 MET 128 107 ASP 129 108 LEU 130 109 LEU 131 110 SER 132 111 ASN 133 112 TYR 134 113 GLN 135 114 LEU 136 115 GLU 137 116 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 'E. coli' 83334 Bacteria . Escherichia coli 'ECs1996, Z2337' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . BL21(DE3) . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 400 uM [U-100% 13C; U-100% 15N] NleG5-1, 15 mM HEPES, 250 mM sodium chloride, 5 mM L-arginine, 5 mM sodium citrate, 1 mM benzamidine, 10 uM DTT, 0.01 % w/v sodium azide, 90% H2O/10% D2O ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DTT 10 uM 'natural abundance' HEPES 15 mM 'natural abundance' L-arginine 5 mM 'natural abundance' $entity_1 400 uM '[U-100% 13C; U-100% 15N]' benzamidine 1 mM 'natural abundance' 'sodium azide' 0.01 '% w/v' 'natural abundance' 'sodium chloride' 250 mM 'natural abundance' 'sodium citrate' 5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name ABACUS _Version . loop_ _Vendor _Address _Electronic_address 'Lemak and Arrowsmith' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_3 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_5 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ save_software_6 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceII _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 400 . mM pH 7.5 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0 external indirect . . . 0.251 DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external indirect . . . 0.101 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HNCO' '3D CBCA(CO)NH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aromatic' '3D 1H-13C NOESY aliphatic' '3D HBHA(CO)NH' '3D HCCH-TOCSY' '3D CCH-TOCSY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 22 MET H H 8.172 0.04 1 2 1 22 MET N N 115.436 0.40 1 3 2 23 PRO HA H 4.598 0.04 1 4 2 23 PRO HB2 H 1.929 0.04 2 5 2 23 PRO HB3 H 1.615 0.04 2 6 2 23 PRO HG2 H 1.960 0.04 2 7 2 23 PRO HG3 H 1.909 0.04 2 8 2 23 PRO HD2 H 3.646 0.04 2 9 2 23 PRO HD3 H 3.886 0.04 2 10 2 23 PRO C C 176.660 0.40 1 11 2 23 PRO CA C 62.722 0.40 1 12 2 23 PRO CB C 32.105 0.40 1 13 2 23 PRO CG C 27.349 0.40 1 14 2 23 PRO CD C 50.680 0.40 1 15 3 24 VAL H H 8.810 0.04 1 16 3 24 VAL HA H 3.937 0.04 1 17 3 24 VAL HB H 1.945 0.04 1 18 3 24 VAL HG1 H 0.814 0.04 2 19 3 24 VAL HG2 H 0.981 0.04 2 20 3 24 VAL C C 175.135 0.40 1 21 3 24 VAL CA C 62.839 0.40 1 22 3 24 VAL CB C 32.331 0.40 1 23 3 24 VAL CG1 C 21.238 0.40 2 24 3 24 VAL CG2 C 20.899 0.40 2 25 3 24 VAL N N 124.600 0.40 1 26 4 25 ASP H H 8.919 0.04 1 27 4 25 ASP HA H 5.077 0.04 1 28 4 25 ASP HB2 H 3.018 0.04 2 29 4 25 ASP HB3 H 2.561 0.04 2 30 4 25 ASP C C 176.180 0.40 1 31 4 25 ASP CA C 53.831 0.40 1 32 4 25 ASP CB C 41.035 0.40 1 33 4 25 ASP N N 128.224 0.40 1 34 5 26 LEU H H 9.236 0.04 1 35 5 26 LEU HA H 5.018 0.04 1 36 5 26 LEU HB2 H 1.876 0.04 2 37 5 26 LEU HB3 H 1.603 0.04 2 38 5 26 LEU HD1 H 0.716 0.04 2 39 5 26 LEU HD2 H 0.793 0.04 2 40 5 26 LEU C C 176.281 0.40 1 41 5 26 LEU CA C 53.074 0.40 1 42 5 26 LEU CB C 41.543 0.40 1 43 5 26 LEU CD1 C 25.961 0.40 2 44 5 26 LEU CD2 C 23.427 0.40 2 45 5 26 LEU N N 124.547 0.40 1 46 6 27 THR H H 8.609 0.04 1 47 6 27 THR HA H 4.253 0.04 1 48 6 27 THR HB H 3.808 0.04 1 49 6 27 THR HG2 H 1.230 0.04 1 50 6 27 THR CA C 65.716 0.40 1 51 6 27 THR CB C 68.538 0.40 1 52 6 27 THR CG2 C 21.948 0.40 1 53 6 27 THR N N 119.499 0.40 1 54 7 28 PRO HA H 4.159 0.04 1 55 7 28 PRO HB2 H 2.042 0.04 2 56 7 28 PRO HB3 H 0.529 0.04 2 57 7 28 PRO HG2 H 1.679 0.04 2 58 7 28 PRO HG3 H 1.679 0.04 2 59 7 28 PRO HD2 H 3.505 0.04 2 60 7 28 PRO HD3 H 3.000 0.04 2 61 7 28 PRO C C 176.102 0.40 1 62 7 28 PRO CA C 64.932 0.40 1 63 7 28 PRO CB C 30.840 0.40 1 64 7 28 PRO CG C 27.843 0.40 1 65 7 28 PRO CD C 51.136 0.40 1 66 8 29 TYR H H 7.707 0.04 1 67 8 29 TYR HA H 4.415 0.04 1 68 8 29 TYR HB2 H 3.427 0.04 2 69 8 29 TYR HB3 H 2.584 0.04 2 70 8 29 TYR HD1 H 7.035 0.04 3 71 8 29 TYR HD2 H 7.035 0.04 3 72 8 29 TYR HE1 H 6.829 0.04 3 73 8 29 TYR HE2 H 6.829 0.04 3 74 8 29 TYR C C 174.440 0.40 1 75 8 29 TYR CA C 57.080 0.40 1 76 8 29 TYR CB C 37.438 0.40 1 77 8 29 TYR CD1 C 133.348 0.40 3 78 8 29 TYR CE1 C 117.204 0.40 3 79 8 29 TYR N N 115.237 0.40 1 80 9 30 ILE H H 7.266 0.04 1 81 9 30 ILE HA H 3.817 0.04 1 82 9 30 ILE HB H 1.769 0.04 1 83 9 30 ILE HG12 H 1.571 0.04 2 84 9 30 ILE HG13 H 0.728 0.04 2 85 9 30 ILE HG2 H 0.793 0.04 1 86 9 30 ILE HD1 H 0.732 0.04 1 87 9 30 ILE C C 176.059 0.40 1 88 9 30 ILE CA C 62.822 0.40 1 89 9 30 ILE CB C 38.578 0.40 1 90 9 30 ILE CG1 C 27.695 0.40 1 91 9 30 ILE CG2 C 16.885 0.40 1 92 9 30 ILE CD1 C 13.939 0.40 1 93 9 30 ILE N N 119.861 0.40 1 94 10 31 LEU H H 8.752 0.04 1 95 10 31 LEU HA H 4.819 0.04 1 96 10 31 LEU HB2 H 1.504 0.04 2 97 10 31 LEU HB3 H 1.283 0.04 2 98 10 31 LEU HG H 0.777 0.04 1 99 10 31 LEU HD1 H 0.908 0.04 2 100 10 31 LEU HD2 H 0.828 0.04 2 101 10 31 LEU CA C 51.678 0.40 1 102 10 31 LEU CB C 43.353 0.40 1 103 10 31 LEU CG C 25.890 0.40 1 104 10 31 LEU CD1 C 23.216 0.40 2 105 10 31 LEU CD2 C 21.418 0.40 2 106 10 31 LEU N N 131.614 0.40 1 107 11 32 PRO HA H 4.355 0.04 1 108 11 32 PRO HB2 H 2.246 0.04 2 109 11 32 PRO HB3 H 1.909 0.04 2 110 11 32 PRO HG2 H 2.122 0.04 2 111 11 32 PRO HG3 H 1.992 0.04 2 112 11 32 PRO HD2 H 3.832 0.04 2 113 11 32 PRO HD3 H 3.652 0.04 2 114 11 32 PRO CA C 63.203 0.40 1 115 11 32 PRO CB C 31.648 0.40 1 116 11 32 PRO CG C 27.569 0.40 1 117 11 32 PRO CD C 50.526 0.40 1 118 12 33 GLY HA2 H 4.117 0.04 2 119 12 33 GLY HA3 H 3.700 0.04 2 120 12 33 GLY C C 173.834 0.40 1 121 12 33 GLY CA C 45.846 0.40 1 122 13 34 VAL H H 7.414 0.04 1 123 13 34 VAL HA H 4.548 0.04 1 124 13 34 VAL HB H 1.904 0.04 1 125 13 34 VAL HG1 H 0.803 0.04 2 126 13 34 VAL HG2 H 0.400 0.04 2 127 13 34 VAL C C 175.872 0.40 1 128 13 34 VAL CA C 60.246 0.40 1 129 13 34 VAL CB C 34.921 0.40 1 130 13 34 VAL CG1 C 21.340 0.40 2 131 13 34 VAL CG2 C 19.462 0.40 2 132 13 34 VAL N N 113.925 0.40 1 133 14 35 SER H H 8.331 0.04 1 134 14 35 SER HA H 4.417 0.04 1 135 14 35 SER HB2 H 3.819 0.04 2 136 14 35 SER HB3 H 3.686 0.04 2 137 14 35 SER C C 172.732 0.40 1 138 14 35 SER CA C 58.168 0.40 1 139 14 35 SER CB C 63.463 0.40 1 140 14 35 SER N N 114.947 0.40 1 141 15 36 PHE H H 6.722 0.04 1 142 15 36 PHE HA H 4.603 0.04 1 143 15 36 PHE HB2 H 2.949 0.04 2 144 15 36 PHE HB3 H 2.867 0.04 2 145 15 36 PHE C C 173.918 0.40 1 146 15 36 PHE CA C 55.120 0.40 1 147 15 36 PHE CB C 40.503 0.40 1 148 15 36 PHE N N 115.670 0.40 1 149 16 37 LEU H H 6.636 0.04 1 150 16 37 LEU HA H 4.709 0.04 1 151 16 37 LEU HB2 H 1.496 0.04 2 152 16 37 LEU HB3 H 1.338 0.04 2 153 16 37 LEU HG H 1.361 0.04 1 154 16 37 LEU HD1 H 0.709 0.04 2 155 16 37 LEU HD2 H 0.428 0.04 2 156 16 37 LEU C C 176.829 0.40 1 157 16 37 LEU CA C 53.510 0.40 1 158 16 37 LEU CB C 43.486 0.40 1 159 16 37 LEU CG C 27.509 0.40 1 160 16 37 LEU CD1 C 25.911 0.40 2 161 16 37 LEU CD2 C 24.198 0.40 2 162 16 37 LEU N N 119.447 0.40 1 163 17 38 SER H H 8.933 0.04 1 164 17 38 SER HA H 4.445 0.04 1 165 17 38 SER HB2 H 3.930 0.04 2 166 17 38 SER HB3 H 4.136 0.04 2 167 17 38 SER C C 173.231 0.40 1 168 17 38 SER CA C 58.104 0.40 1 169 17 38 SER CB C 63.951 0.40 1 170 17 38 SER N N 115.115 0.40 1 171 18 39 ASP H H 7.992 0.04 1 172 18 39 ASP HA H 4.340 0.04 1 173 18 39 ASP HB2 H 2.553 0.04 2 174 18 39 ASP HB3 H 2.553 0.04 2 175 18 39 ASP C C 175.498 0.40 1 176 18 39 ASP CA C 55.654 0.40 1 177 18 39 ASP CB C 40.944 0.40 1 178 18 39 ASP N N 118.155 0.40 1 179 19 40 ILE H H 7.942 0.04 1 180 19 40 ILE HA H 3.605 0.04 1 181 19 40 ILE HB H 1.370 0.04 1 182 19 40 ILE HG12 H 1.705 0.04 2 183 19 40 ILE HG13 H 0.356 0.04 2 184 19 40 ILE HG2 H 0.565 0.04 1 185 19 40 ILE HD1 H 0.679 0.04 1 186 19 40 ILE CA C 58.120 0.40 1 187 19 40 ILE CB C 40.085 0.40 1 188 19 40 ILE CG1 C 26.837 0.40 1 189 19 40 ILE CG2 C 17.049 0.40 1 190 19 40 ILE CD1 C 13.701 0.40 1 191 19 40 ILE N N 125.827 0.40 1 192 20 41 PRO HA H 4.351 0.04 1 193 20 41 PRO HB2 H 2.511 0.04 2 194 20 41 PRO HB3 H 1.960 0.04 2 195 20 41 PRO HG2 H 2.119 0.04 2 196 20 41 PRO HG3 H 2.055 0.04 2 197 20 41 PRO HD2 H 3.653 0.04 2 198 20 41 PRO HD3 H 3.108 0.04 2 199 20 41 PRO C C 174.403 0.40 1 200 20 41 PRO CA C 63.235 0.40 1 201 20 41 PRO CB C 32.714 0.40 1 202 20 41 PRO CG C 28.095 0.40 1 203 20 41 PRO CD C 51.889 0.40 1 204 21 42 GLN H H 8.971 0.04 1 205 21 42 GLN N N 124.103 0.40 1 206 22 43 GLU HA H 4.105 0.04 1 207 22 43 GLU HB2 H 2.052 0.04 2 208 22 43 GLU HB3 H 2.052 0.04 2 209 22 43 GLU HG2 H 2.418 0.04 2 210 22 43 GLU HG3 H 2.345 0.04 2 211 22 43 GLU C C 179.048 0.40 1 212 22 43 GLU CA C 59.940 0.40 1 213 22 43 GLU CB C 28.563 0.40 1 214 22 43 GLU CG C 36.424 0.40 1 215 23 44 THR H H 7.217 0.04 1 216 23 44 THR HA H 4.093 0.04 1 217 23 44 THR HB H 3.994 0.04 1 218 23 44 THR HG2 H 1.061 0.04 1 219 23 44 THR C C 175.948 0.40 1 220 23 44 THR CA C 65.942 0.40 1 221 23 44 THR CB C 68.127 0.40 1 222 23 44 THR CG2 C 22.691 0.40 1 223 23 44 THR N N 118.489 0.40 1 224 24 45 LEU H H 7.666 0.04 1 225 24 45 LEU HA H 3.803 0.04 1 226 24 45 LEU HB2 H 1.844 0.04 2 227 24 45 LEU HB3 H 1.274 0.04 2 228 24 45 LEU HG H 1.475 0.04 1 229 24 45 LEU HD1 H 0.772 0.04 2 230 24 45 LEU HD2 H 0.603 0.04 2 231 24 45 LEU C C 179.277 0.40 1 232 24 45 LEU CA C 58.245 0.40 1 233 24 45 LEU CB C 40.710 0.40 1 234 24 45 LEU CG C 26.297 0.40 1 235 24 45 LEU CD1 C 25.617 0.40 2 236 24 45 LEU CD2 C 22.350 0.40 2 237 24 45 LEU N N 121.870 0.40 1 238 25 46 SER H H 8.512 0.04 1 239 25 46 SER HA H 3.972 0.04 1 240 25 46 SER HB2 H 3.915 0.04 2 241 25 46 SER HB3 H 3.915 0.04 2 242 25 46 SER C C 175.899 0.40 1 243 25 46 SER CA C 62.470 0.40 1 244 25 46 SER CB C 62.470 0.40 1 245 25 46 SER N N 114.033 0.40 1 246 26 47 GLU H H 7.499 0.04 1 247 26 47 GLU HA H 4.199 0.04 1 248 26 47 GLU HB2 H 2.160 0.04 2 249 26 47 GLU HB3 H 2.245 0.04 2 250 26 47 GLU HG2 H 2.335 0.04 2 251 26 47 GLU HG3 H 2.265 0.04 2 252 26 47 GLU C C 178.954 0.40 1 253 26 47 GLU CA C 59.354 0.40 1 254 26 47 GLU CB C 28.998 0.40 1 255 26 47 GLU CG C 35.496 0.40 1 256 26 47 GLU N N 122.816 0.40 1 257 27 48 ILE H H 7.842 0.04 1 258 27 48 ILE HA H 3.305 0.04 1 259 27 48 ILE HB H 1.876 0.04 1 260 27 48 ILE HG12 H 2.017 0.04 2 261 27 48 ILE HG13 H 0.634 0.04 2 262 27 48 ILE HG2 H 0.495 0.04 1 263 27 48 ILE HD1 H 0.713 0.04 1 264 27 48 ILE C C 180.117 0.40 1 265 27 48 ILE CA C 66.065 0.40 1 266 27 48 ILE CB C 37.910 0.40 1 267 27 48 ILE CG1 C 29.306 0.40 1 268 27 48 ILE CG2 C 17.039 0.40 1 269 27 48 ILE CD1 C 13.810 0.40 1 270 27 48 ILE N N 118.391 0.40 1 271 28 49 ARG H H 8.142 0.04 1 272 28 49 ARG HA H 3.473 0.04 1 273 28 49 ARG HB2 H 1.793 0.04 2 274 28 49 ARG HB3 H 1.793 0.04 2 275 28 49 ARG HG2 H 1.558 0.04 2 276 28 49 ARG HG3 H 1.043 0.04 2 277 28 49 ARG HD2 H 3.247 0.04 2 278 28 49 ARG HD3 H 3.165 0.04 2 279 28 49 ARG C C 179.102 0.40 1 280 28 49 ARG CA C 60.499 0.40 1 281 28 49 ARG CB C 29.716 0.40 1 282 28 49 ARG CG C 28.622 0.40 1 283 28 49 ARG CD C 43.287 0.40 1 284 28 49 ARG N N 118.921 0.40 1 285 29 50 ASN H H 8.682 0.04 1 286 29 50 ASN HA H 4.426 0.04 1 287 29 50 ASN HB2 H 2.935 0.04 2 288 29 50 ASN HB3 H 2.769 0.04 2 289 29 50 ASN C C 178.290 0.40 1 290 29 50 ASN CA C 56.039 0.40 1 291 29 50 ASN CB C 38.070 0.40 1 292 29 50 ASN N N 118.211 0.40 1 293 30 51 GLN H H 8.149 0.04 1 294 30 51 GLN HA H 4.079 0.04 1 295 30 51 GLN HB2 H 2.148 0.04 2 296 30 51 GLN HB3 H 2.368 0.04 2 297 30 51 GLN HG2 H 2.764 0.04 2 298 30 51 GLN HG3 H 2.470 0.04 2 299 30 51 GLN C C 178.435 0.40 1 300 30 51 GLN CA C 59.079 0.40 1 301 30 51 GLN CB C 27.995 0.40 1 302 30 51 GLN CG C 34.171 0.40 1 303 30 51 GLN N N 118.868 0.40 1 304 31 52 THR H H 7.879 0.04 1 305 31 52 THR HA H 3.893 0.04 1 306 31 52 THR HB H 4.168 0.04 1 307 31 52 THR HG2 H 1.179 0.04 1 308 31 52 THR C C 176.714 0.40 1 309 31 52 THR CA C 66.031 0.40 1 310 31 52 THR CB C 68.743 0.40 1 311 31 52 THR CG2 C 22.305 0.40 1 312 31 52 THR N N 110.944 0.40 1 313 32 53 ILE H H 7.595 0.04 1 314 32 53 ILE HA H 3.885 0.04 1 315 32 53 ILE HB H 1.991 0.04 1 316 32 53 ILE HG12 H 1.707 0.04 2 317 32 53 ILE HG13 H 1.371 0.04 2 318 32 53 ILE HG2 H 0.989 0.04 1 319 32 53 ILE HD1 H 0.950 0.04 1 320 32 53 ILE C C 177.858 0.40 1 321 32 53 ILE CA C 64.241 0.40 1 322 32 53 ILE CB C 37.834 0.40 1 323 32 53 ILE CG1 C 28.825 0.40 1 324 32 53 ILE CG2 C 17.353 0.40 1 325 32 53 ILE CD1 C 13.276 0.40 1 326 32 53 ILE N N 120.914 0.40 1 327 33 54 ARG H H 7.371 0.04 1 328 33 54 ARG HA H 4.321 0.04 1 329 33 54 ARG HB2 H 2.051 0.04 2 330 33 54 ARG HB3 H 1.943 0.04 2 331 33 54 ARG HG2 H 1.756 0.04 2 332 33 54 ARG HG3 H 1.675 0.04 2 333 33 54 ARG HD2 H 3.186 0.04 2 334 33 54 ARG HD3 H 3.186 0.04 2 335 33 54 ARG C C 176.779 0.40 1 336 33 54 ARG CA C 56.849 0.40 1 337 33 54 ARG CB C 30.363 0.40 1 338 33 54 ARG CG C 27.746 0.40 1 339 33 54 ARG CD C 43.302 0.40 1 340 33 54 ARG N N 117.759 0.40 1 341 34 55 GLY H H 7.653 0.04 1 342 34 55 GLY HA2 H 4.473 0.04 2 343 34 55 GLY HA3 H 3.567 0.04 2 344 34 55 GLY C C 172.582 0.40 1 345 34 55 GLY CA C 46.683 0.40 1 346 34 55 GLY N N 108.229 0.40 1 347 35 56 GLU H H 7.501 0.04 1 348 35 56 GLU HA H 4.938 0.04 1 349 35 56 GLU HB2 H 2.104 0.04 2 350 35 56 GLU HB3 H 1.970 0.04 2 351 35 56 GLU HG2 H 2.070 0.04 2 352 35 56 GLU HG3 H 2.070 0.04 2 353 35 56 GLU C C 173.863 0.40 1 354 35 56 GLU CA C 56.071 0.40 1 355 35 56 GLU CB C 32.495 0.40 1 356 35 56 GLU CG C 36.113 0.40 1 357 35 56 GLU N N 117.879 0.40 1 358 36 57 ALA H H 9.040 0.04 1 359 36 57 ALA HA H 4.958 0.04 1 360 36 57 ALA HB H 1.286 0.04 1 361 36 57 ALA C C 176.379 0.40 1 362 36 57 ALA CA C 50.355 0.40 1 363 36 57 ALA CB C 22.401 0.40 1 364 36 57 ALA N N 125.530 0.40 1 365 37 58 GLN H H 8.470 0.04 1 366 37 58 GLN HA H 5.077 0.04 1 367 37 58 GLN HB2 H 1.936 0.04 2 368 37 58 GLN HB3 H 1.733 0.04 2 369 37 58 GLN HG2 H 2.172 0.04 2 370 37 58 GLN HG3 H 2.172 0.04 2 371 37 58 GLN C C 174.603 0.40 1 372 37 58 GLN CA C 54.823 0.40 1 373 37 58 GLN CB C 30.408 0.40 1 374 37 58 GLN CG C 33.905 0.40 1 375 37 58 GLN N N 120.544 0.40 1 376 38 59 ILE H H 9.258 0.04 1 377 38 59 ILE HA H 5.055 0.04 1 378 38 59 ILE HB H 1.668 0.04 1 379 38 59 ILE HG12 H 1.352 0.04 2 380 38 59 ILE HG13 H 1.010 0.04 2 381 38 59 ILE HG2 H 0.762 0.04 1 382 38 59 ILE HD1 H 0.689 0.04 1 383 38 59 ILE C C 174.327 0.40 1 384 38 59 ILE CA C 58.431 0.40 1 385 38 59 ILE CB C 41.674 0.40 1 386 38 59 ILE CG1 C 27.742 0.40 1 387 38 59 ILE CG2 C 18.015 0.40 1 388 38 59 ILE CD1 C 14.587 0.40 1 389 38 59 ILE N N 122.684 0.40 1 390 39 60 ARG H H 8.759 0.04 1 391 39 60 ARG HA H 5.058 0.04 1 392 39 60 ARG HB2 H 1.803 0.04 2 393 39 60 ARG HB3 H 1.513 0.04 2 394 39 60 ARG HG2 H 1.632 0.04 2 395 39 60 ARG HG3 H 1.456 0.04 2 396 39 60 ARG HD2 H 3.187 0.04 2 397 39 60 ARG HD3 H 3.084 0.04 2 398 39 60 ARG C C 174.706 0.40 1 399 39 60 ARG CA C 54.836 0.40 1 400 39 60 ARG CB C 32.516 0.40 1 401 39 60 ARG CG C 27.872 0.40 1 402 39 60 ARG CD C 43.370 0.40 1 403 39 60 ARG N N 126.954 0.40 1 404 40 61 LEU H H 8.799 0.04 1 405 40 61 LEU HA H 4.341 0.04 1 406 40 61 LEU HB2 H 1.479 0.04 2 407 40 61 LEU HB3 H 1.233 0.04 2 408 40 61 LEU HG H 1.381 0.04 1 409 40 61 LEU HD1 H 0.632 0.04 2 410 40 61 LEU HD2 H 0.388 0.04 2 411 40 61 LEU C C 176.331 0.40 1 412 40 61 LEU CA C 52.938 0.40 1 413 40 61 LEU CB C 43.692 0.40 1 414 40 61 LEU CG C 25.929 0.40 1 415 40 61 LEU CD1 C 26.956 0.40 2 416 40 61 LEU CD2 C 26.376 0.40 2 417 40 61 LEU N N 128.884 0.40 1 418 41 62 GLY H H 9.146 0.04 1 419 41 62 GLY HA2 H 3.987 0.04 2 420 41 62 GLY HA3 H 3.565 0.04 2 421 41 62 GLY C C 174.575 0.40 1 422 41 62 GLY CA C 46.877 0.40 1 423 41 62 GLY N N 116.474 0.40 1 424 42 63 GLU H H 8.935 0.04 1 425 42 63 GLU HA H 4.272 0.04 1 426 42 63 GLU HB2 H 2.187 0.04 2 427 42 63 GLU HB3 H 1.902 0.04 2 428 42 63 GLU HG2 H 2.300 0.04 2 429 42 63 GLU HG3 H 2.246 0.04 2 430 42 63 GLU C C 176.061 0.40 1 431 42 63 GLU CA C 56.565 0.40 1 432 42 63 GLU CB C 30.010 0.40 1 433 42 63 GLU CG C 36.258 0.40 1 434 42 63 GLU N N 127.179 0.40 1 435 43 64 LEU H H 7.855 0.04 1 436 43 64 LEU HA H 4.601 0.04 1 437 43 64 LEU HB2 H 2.117 0.04 2 438 43 64 LEU HB3 H 1.323 0.04 2 439 43 64 LEU HG H 1.849 0.04 1 440 43 64 LEU HD1 H 1.001 0.04 2 441 43 64 LEU HD2 H 0.903 0.04 2 442 43 64 LEU C C 175.712 0.40 1 443 43 64 LEU CA C 54.422 0.40 1 444 43 64 LEU CB C 43.440 0.40 1 445 43 64 LEU CG C 27.151 0.40 1 446 43 64 LEU CD1 C 25.691 0.40 2 447 43 64 LEU CD2 C 24.405 0.40 2 448 43 64 LEU N N 120.319 0.40 1 449 44 65 MET H H 8.775 0.04 1 450 44 65 MET HA H 5.373 0.04 1 451 44 65 MET HB2 H 2.017 0.04 2 452 44 65 MET HB3 H 1.948 0.04 2 453 44 65 MET HG2 H 2.519 0.04 2 454 44 65 MET HG3 H 2.424 0.04 2 455 44 65 MET C C 175.231 0.40 1 456 44 65 MET CA C 53.559 0.40 1 457 44 65 MET CB C 33.989 0.40 1 458 44 65 MET CG C 31.916 0.40 1 459 44 65 MET N N 121.403 0.40 1 460 45 66 VAL H H 9.081 0.04 1 461 45 66 VAL HA H 4.807 0.04 1 462 45 66 VAL HB H 1.873 0.04 1 463 45 66 VAL HG1 H 0.798 0.04 2 464 45 66 VAL C C 174.548 0.40 1 465 45 66 VAL CA C 59.848 0.40 1 466 45 66 VAL CB C 35.524 0.40 1 467 45 66 VAL CG1 C 21.567 0.40 2 468 45 66 VAL N N 123.660 0.40 1 469 46 67 SER H H 8.863 0.04 1 470 46 67 SER HA H 5.489 0.04 1 471 46 67 SER HB2 H 3.709 0.04 2 472 46 67 SER HB3 H 3.709 0.04 2 473 46 67 SER C C 173.837 0.40 1 474 46 67 SER CA C 56.856 0.40 1 475 46 67 SER CB C 64.787 0.40 1 476 46 67 SER N N 120.414 0.40 1 477 47 68 ILE H H 9.235 0.04 1 478 47 68 ILE HA H 5.049 0.04 1 479 47 68 ILE HB H 1.866 0.04 1 480 47 68 ILE HG12 H 1.342 0.04 2 481 47 68 ILE HG13 H 1.082 0.04 2 482 47 68 ILE HG2 H 0.715 0.04 1 483 47 68 ILE HD1 H 0.592 0.04 1 484 47 68 ILE C C 174.411 0.40 1 485 47 68 ILE CA C 57.819 0.40 1 486 47 68 ILE CB C 37.850 0.40 1 487 47 68 ILE CG1 C 26.665 0.40 1 488 47 68 ILE CG2 C 17.757 0.40 1 489 47 68 ILE CD1 C 9.991 0.40 1 490 47 68 ILE N N 125.090 0.40 1 491 48 69 ARG H H 9.063 0.04 1 492 48 69 ARG HA H 5.181 0.04 1 493 48 69 ARG HB2 H 1.987 0.04 2 494 48 69 ARG HB3 H 1.680 0.04 2 495 48 69 ARG HG2 H 1.943 0.04 2 496 48 69 ARG HG3 H 1.672 0.04 2 497 48 69 ARG HD2 H 3.238 0.04 2 498 48 69 ARG HD3 H 3.238 0.04 2 499 48 69 ARG CA C 53.095 0.40 1 500 48 69 ARG CB C 33.019 0.40 1 501 48 69 ARG CG C 27.771 0.40 1 502 48 69 ARG CD C 43.473 0.40 1 503 48 69 ARG N N 124.759 0.40 1 504 49 70 PRO HA H 4.620 0.04 1 505 49 70 PRO HB2 H 2.304 0.04 2 506 49 70 PRO HB3 H 1.968 0.04 2 507 49 70 PRO HG2 H 2.050 0.04 2 508 49 70 PRO HG3 H 2.253 0.04 2 509 49 70 PRO HD2 H 3.810 0.04 2 510 49 70 PRO HD3 H 3.888 0.04 2 511 49 70 PRO C C 177.869 0.40 1 512 49 70 PRO CA C 62.882 0.40 1 513 49 70 PRO CB C 32.112 0.40 1 514 49 70 PRO CG C 27.803 0.40 1 515 49 70 PRO CD C 51.100 0.40 1 516 50 71 MET H H 8.152 0.04 1 517 50 71 MET N N 119.727 0.40 1 518 51 72 GLN HA H 4.104 0.04 1 519 51 72 GLN HB2 H 2.163 0.04 2 520 51 72 GLN HB3 H 2.029 0.04 2 521 51 72 GLN HG2 H 2.436 0.04 2 522 51 72 GLN HG3 H 2.378 0.04 2 523 51 72 GLN C C 175.857 0.40 1 524 51 72 GLN CA C 57.564 0.40 1 525 51 72 GLN CB C 28.291 0.40 1 526 51 72 GLN CG C 34.177 0.40 1 527 52 73 VAL H H 6.498 0.04 1 528 52 73 VAL HA H 4.042 0.04 1 529 52 73 VAL HB H 1.799 0.04 1 530 52 73 VAL HG1 H 0.901 0.04 2 531 52 73 VAL HG2 H 0.794 0.04 2 532 52 73 VAL CA C 60.985 0.40 1 533 52 73 VAL CB C 32.171 0.40 1 534 52 73 VAL CG1 C 21.713 0.40 2 535 52 73 VAL CG2 C 20.492 0.40 2 536 52 73 VAL N N 117.037 0.40 1 537 53 74 ASN HA H 4.350 0.04 1 538 53 74 ASN HB2 H 2.742 0.04 2 539 53 74 ASN HB3 H 2.676 0.04 2 540 53 74 ASN CA C 55.469 0.40 1 541 53 74 ASN CB C 38.788 0.40 1 542 54 75 GLY H H 8.154 0.04 1 543 54 75 GLY HA2 H 3.934 0.04 2 544 54 75 GLY HA3 H 3.340 0.04 2 545 54 75 GLY C C 172.610 0.40 1 546 54 75 GLY CA C 44.651 0.40 1 547 54 75 GLY N N 110.811 0.40 1 548 55 76 TYR H H 7.148 0.04 1 549 55 76 TYR HA H 4.804 0.04 1 550 55 76 TYR HB2 H 2.868 0.04 2 551 55 76 TYR HB3 H 2.621 0.04 2 552 55 76 TYR HD1 H 6.786 0.04 3 553 55 76 TYR HD2 H 6.786 0.04 3 554 55 76 TYR HE1 H 6.932 0.04 3 555 55 76 TYR HE2 H 6.932 0.04 3 556 55 76 TYR C C 175.468 0.40 1 557 55 76 TYR CA C 57.007 0.40 1 558 55 76 TYR CB C 42.629 0.40 1 559 55 76 TYR CD1 C 133.869 0.40 3 560 55 76 TYR CE1 C 118.042 0.40 3 561 55 76 TYR N N 116.889 0.40 1 562 56 77 PHE H H 10.216 0.04 1 563 56 77 PHE HA H 5.007 0.04 1 564 56 77 PHE HB2 H 2.853 0.04 2 565 56 77 PHE HB3 H 2.641 0.04 2 566 56 77 PHE HD1 H 7.804 0.04 3 567 56 77 PHE HD2 H 7.804 0.04 3 568 56 77 PHE HE1 H 7.636 0.04 3 569 56 77 PHE HE2 H 7.636 0.04 3 570 56 77 PHE C C 173.173 0.40 1 571 56 77 PHE CA C 57.773 0.40 1 572 56 77 PHE CB C 42.959 0.40 1 573 56 77 PHE CD1 C 130.428 0.40 3 574 56 77 PHE CE1 C 132.045 0.40 3 575 56 77 PHE N N 122.039 0.40 1 576 57 78 MET H H 9.164 0.04 1 577 57 78 MET HA H 5.365 0.04 1 578 57 78 MET HB2 H 2.161 0.04 2 579 57 78 MET HB3 H 1.960 0.04 2 580 57 78 MET HG2 H 2.637 0.04 2 581 57 78 MET HG3 H 2.430 0.04 2 582 57 78 MET HE H 2.066 0.04 1 583 57 78 MET C C 175.498 0.40 1 584 57 78 MET CA C 53.064 0.40 1 585 57 78 MET CB C 36.599 0.40 1 586 57 78 MET CG C 30.681 0.40 1 587 57 78 MET CE C 16.787 0.40 1 588 57 78 MET N N 116.061 0.40 1 589 58 79 GLY H H 10.459 0.04 1 590 58 79 GLY HA2 H 5.801 0.04 2 591 58 79 GLY HA3 H 3.301 0.04 2 592 58 79 GLY C C 172.806 0.40 1 593 58 79 GLY CA C 43.840 0.40 1 594 58 79 GLY N N 113.275 0.40 1 595 59 80 SER H H 9.040 0.04 1 596 59 80 SER HA H 4.739 0.04 1 597 59 80 SER HB2 H 3.789 0.04 2 598 59 80 SER HB3 H 3.789 0.04 2 599 59 80 SER C C 172.397 0.40 1 600 59 80 SER CA C 57.533 0.40 1 601 59 80 SER CB C 65.594 0.40 1 602 59 80 SER N N 114.253 0.40 1 603 60 81 LEU H H 8.800 0.04 1 604 60 81 LEU HA H 4.715 0.04 1 605 60 81 LEU HB2 H 1.813 0.04 2 606 60 81 LEU HB3 H 1.476 0.04 2 607 60 81 LEU HG H 1.469 0.04 1 608 60 81 LEU HD1 H 0.923 0.04 2 609 60 81 LEU HD2 H 0.963 0.04 2 610 60 81 LEU C C 176.118 0.40 1 611 60 81 LEU CA C 53.828 0.40 1 612 60 81 LEU CB C 44.352 0.40 1 613 60 81 LEU CG C 26.731 0.40 1 614 60 81 LEU CD1 C 26.882 0.40 2 615 60 81 LEU CD2 C 24.715 0.40 2 616 60 81 LEU N N 124.765 0.40 1 617 61 82 ASN H H 8.485 0.04 1 618 61 82 ASN HA H 4.814 0.04 1 619 61 82 ASN HB2 H 3.022 0.04 2 620 61 82 ASN HB3 H 2.759 0.04 2 621 61 82 ASN C C 175.481 0.40 1 622 61 82 ASN CA C 52.965 0.40 1 623 61 82 ASN CB C 37.839 0.40 1 624 61 82 ASN N N 123.742 0.40 1 625 62 83 GLN H H 8.537 0.04 1 626 62 83 GLN HA H 4.198 0.04 1 627 62 83 GLN HB2 H 2.010 0.04 2 628 62 83 GLN HB3 H 2.211 0.04 2 629 62 83 GLN HG2 H 2.499 0.04 2 630 62 83 GLN HG3 H 2.165 0.04 2 631 62 83 GLN C C 176.237 0.40 1 632 62 83 GLN CA C 56.654 0.40 1 633 62 83 GLN CB C 29.166 0.40 1 634 62 83 GLN CG C 34.498 0.40 1 635 62 83 GLN N N 122.806 0.40 1 636 63 84 ASP H H 8.123 0.04 1 637 63 84 ASP HA H 4.435 0.04 1 638 63 84 ASP HB2 H 2.660 0.04 2 639 63 84 ASP HB3 H 2.640 0.04 2 640 63 84 ASP C C 177.141 0.40 1 641 63 84 ASP CA C 55.868 0.40 1 642 63 84 ASP CB C 40.703 0.40 1 643 63 84 ASP N N 121.653 0.40 1 644 64 85 GLY H H 8.710 0.04 1 645 64 85 GLY HA2 H 4.062 0.04 2 646 64 85 GLY HA3 H 3.789 0.04 2 647 64 85 GLY C C 174.559 0.40 1 648 64 85 GLY CA C 45.809 0.40 1 649 64 85 GLY N N 112.022 0.40 1 650 65 86 LEU H H 7.590 0.04 1 651 65 86 LEU HA H 4.591 0.04 1 652 65 86 LEU HB2 H 1.813 0.04 2 653 65 86 LEU HB3 H 1.496 0.04 2 654 65 86 LEU HG H 1.594 0.04 1 655 65 86 LEU HD1 H 0.916 0.04 2 656 65 86 LEU HD2 H 0.857 0.04 2 657 65 86 LEU C C 177.568 0.40 1 658 65 86 LEU CA C 54.240 0.40 1 659 65 86 LEU CB C 44.004 0.40 1 660 65 86 LEU CG C 26.753 0.40 1 661 65 86 LEU CD1 C 26.795 0.40 2 662 65 86 LEU CD2 C 22.993 0.40 2 663 65 86 LEU N N 119.852 0.40 1 664 66 87 SER H H 8.647 0.04 1 665 66 87 SER HA H 4.534 0.04 1 666 66 87 SER HB2 H 4.053 0.04 2 667 66 87 SER HB3 H 4.337 0.04 2 668 66 87 SER CA C 56.394 0.40 1 669 66 87 SER CB C 64.908 0.40 1 670 66 87 SER N N 117.211 0.40 1 671 67 88 ASN HA H 4.352 0.04 1 672 67 88 ASN C C 176.366 0.40 1 673 67 88 ASN CA C 55.389 0.40 1 674 68 89 ASP H H 7.640 0.04 1 675 68 89 ASP HA H 4.369 0.04 1 676 68 89 ASP HB2 H 2.645 0.04 2 677 68 89 ASP HB3 H 2.486 0.04 2 678 68 89 ASP C C 178.214 0.40 1 679 68 89 ASP CA C 56.960 0.40 1 680 68 89 ASP CB C 40.069 0.40 1 681 68 89 ASP N N 127.890 0.40 1 682 69 90 ASN H H 7.634 0.04 1 683 69 90 ASN HA H 4.795 0.04 1 684 69 90 ASN HB2 H 2.940 0.04 2 685 69 90 ASN HB3 H 2.634 0.04 2 686 69 90 ASN C C 177.602 0.40 1 687 69 90 ASN CA C 55.023 0.40 1 688 69 90 ASN CB C 38.766 0.40 1 689 69 90 ASN N N 118.224 0.40 1 690 70 91 ILE H H 8.204 0.04 1 691 70 91 ILE HA H 3.561 0.04 1 692 70 91 ILE HB H 1.929 0.04 1 693 70 91 ILE HG12 H 1.832 0.04 2 694 70 91 ILE HG13 H 0.796 0.04 2 695 70 91 ILE HG2 H 0.852 0.04 1 696 70 91 ILE HD1 H 0.918 0.04 1 697 70 91 ILE C C 177.030 0.40 1 698 70 91 ILE CA C 65.656 0.40 1 699 70 91 ILE CB C 38.206 0.40 1 700 70 91 ILE CG1 C 30.593 0.40 1 701 70 91 ILE CG2 C 16.851 0.40 1 702 70 91 ILE CD1 C 13.467 0.40 1 703 70 91 ILE N N 121.779 0.40 1 704 71 92 GLN H H 7.815 0.04 1 705 71 92 GLN HA H 3.926 0.04 1 706 71 92 GLN HB2 H 2.129 0.04 2 707 71 92 GLN HB3 H 2.129 0.04 2 708 71 92 GLN HG2 H 2.464 0.04 2 709 71 92 GLN HG3 H 2.464 0.04 2 710 71 92 GLN C C 179.345 0.40 1 711 71 92 GLN CA C 59.108 0.40 1 712 71 92 GLN CB C 28.003 0.40 1 713 71 92 GLN CG C 33.605 0.40 1 714 71 92 GLN N N 116.452 0.40 1 715 72 93 ILE H H 7.591 0.04 1 716 72 93 ILE HA H 3.692 0.04 1 717 72 93 ILE HB H 1.733 0.04 1 718 72 93 ILE HG12 H 1.397 0.04 2 719 72 93 ILE HG13 H 1.013 0.04 2 720 72 93 ILE HG2 H 0.680 0.04 1 721 72 93 ILE HD1 H 0.767 0.04 1 722 72 93 ILE C C 177.663 0.40 1 723 72 93 ILE CA C 63.841 0.40 1 724 72 93 ILE CB C 37.964 0.40 1 725 72 93 ILE CG1 C 28.889 0.40 1 726 72 93 ILE CG2 C 17.533 0.40 1 727 72 93 ILE CD1 C 13.024 0.40 1 728 72 93 ILE N N 118.963 0.40 1 729 73 94 GLY H H 8.350 0.04 1 730 73 94 GLY HA2 H 3.682 0.04 2 731 73 94 GLY HA3 H 3.682 0.04 2 732 73 94 GLY C C 175.439 0.40 1 733 73 94 GLY CA C 48.402 0.40 1 734 73 94 GLY N N 108.788 0.40 1 735 74 95 LEU H H 8.643 0.04 1 736 74 95 LEU HA H 4.121 0.04 1 737 74 95 LEU HB2 H 1.936 0.04 2 738 74 95 LEU HB3 H 1.535 0.04 2 739 74 95 LEU HG H 1.991 0.04 1 740 74 95 LEU HD1 H 0.871 0.04 2 741 74 95 LEU HD2 H 0.891 0.04 2 742 74 95 LEU C C 180.587 0.40 1 743 74 95 LEU CA C 58.219 0.40 1 744 74 95 LEU CB C 40.938 0.40 1 745 74 95 LEU CG C 26.522 0.40 1 746 74 95 LEU CD1 C 25.637 0.40 2 747 74 95 LEU CD2 C 22.138 0.40 2 748 74 95 LEU N N 120.346 0.40 1 749 75 96 GLN H H 7.603 0.04 1 750 75 96 GLN HA H 4.229 0.04 1 751 75 96 GLN HB2 H 2.145 0.04 2 752 75 96 GLN HB3 H 2.300 0.04 2 753 75 96 GLN HG2 H 2.572 0.04 2 754 75 96 GLN HG3 H 2.435 0.04 2 755 75 96 GLN C C 179.964 0.40 1 756 75 96 GLN CA C 59.020 0.40 1 757 75 96 GLN CB C 28.293 0.40 1 758 75 96 GLN CG C 34.509 0.40 1 759 75 96 GLN N N 119.849 0.40 1 760 76 97 TYR H H 8.553 0.04 1 761 76 97 TYR HA H 4.702 0.04 1 762 76 97 TYR HB2 H 3.290 0.04 2 763 76 97 TYR HB3 H 2.946 0.04 2 764 76 97 TYR HD1 H 6.888 0.04 3 765 76 97 TYR HD2 H 6.888 0.04 3 766 76 97 TYR HE1 H 6.626 0.04 3 767 76 97 TYR HE2 H 6.626 0.04 3 768 76 97 TYR C C 179.206 0.40 1 769 76 97 TYR CA C 58.831 0.40 1 770 76 97 TYR CB C 37.065 0.40 1 771 76 97 TYR CD1 C 131.095 0.40 3 772 76 97 TYR CE1 C 118.202 0.40 3 773 76 97 TYR N N 120.631 0.40 1 774 77 98 ILE H H 8.525 0.04 1 775 77 98 ILE HA H 3.428 0.04 1 776 77 98 ILE HB H 2.050 0.04 1 777 77 98 ILE HG12 H 1.946 0.04 2 778 77 98 ILE HG13 H 0.716 0.04 2 779 77 98 ILE HG2 H 0.881 0.04 1 780 77 98 ILE HD1 H 0.800 0.04 1 781 77 98 ILE C C 177.151 0.40 1 782 77 98 ILE CA C 66.961 0.40 1 783 77 98 ILE CB C 37.413 0.40 1 784 77 98 ILE CG1 C 31.828 0.40 1 785 77 98 ILE CG2 C 18.220 0.40 1 786 77 98 ILE CD1 C 14.925 0.40 1 787 77 98 ILE N N 118.864 0.40 1 788 78 99 GLU H H 7.836 0.04 1 789 78 99 GLU HA H 4.057 0.04 1 790 78 99 GLU HB2 H 2.128 0.04 2 791 78 99 GLU HB3 H 2.293 0.04 2 792 78 99 GLU HG2 H 2.688 0.04 2 793 78 99 GLU HG3 H 2.242 0.04 2 794 78 99 GLU C C 178.030 0.40 1 795 78 99 GLU CA C 60.742 0.40 1 796 78 99 GLU CB C 28.980 0.40 1 797 78 99 GLU CG C 37.271 0.40 1 798 78 99 GLU N N 119.117 0.40 1 799 79 100 HIS H H 7.900 0.04 1 800 79 100 HIS HA H 4.299 0.04 1 801 79 100 HIS HB2 H 3.430 0.04 2 802 79 100 HIS HB3 H 3.430 0.04 2 803 79 100 HIS C C 179.084 0.40 1 804 79 100 HIS CA C 60.167 0.40 1 805 79 100 HIS CB C 31.134 0.40 1 806 79 100 HIS N N 116.779 0.40 1 807 80 101 ILE H H 8.771 0.04 1 808 80 101 ILE HA H 3.387 0.04 1 809 80 101 ILE HB H 1.846 0.04 1 810 80 101 ILE HG12 H 1.871 0.04 2 811 80 101 ILE HG13 H 0.734 0.04 2 812 80 101 ILE HG2 H 0.665 0.04 1 813 80 101 ILE HD1 H 0.681 0.04 1 814 80 101 ILE C C 178.032 0.40 1 815 80 101 ILE CA C 65.485 0.40 1 816 80 101 ILE CB C 37.904 0.40 1 817 80 101 ILE CG1 C 29.356 0.40 1 818 80 101 ILE CG2 C 17.302 0.40 1 819 80 101 ILE CD1 C 13.657 0.40 1 820 80 101 ILE N N 121.163 0.40 1 821 81 102 GLU H H 9.117 0.04 1 822 81 102 GLU HA H 3.644 0.04 1 823 81 102 GLU HG2 H 2.213 0.04 2 824 81 102 GLU HG3 H 2.213 0.04 2 825 81 102 GLU C C 177.924 0.40 1 826 81 102 GLU CA C 60.891 0.40 1 827 81 102 GLU CG C 36.695 0.40 1 828 81 102 GLU N N 120.252 0.40 1 829 82 103 ARG H H 8.251 0.04 1 830 82 103 ARG HA H 3.711 0.04 1 831 82 103 ARG C C 178.098 0.40 1 832 82 103 ARG CA C 60.459 0.40 1 833 82 103 ARG N N 114.832 0.40 1 834 83 104 THR H H 7.531 0.04 1 835 83 104 THR HA H 3.877 0.04 1 836 83 104 THR HB H 4.136 0.04 1 837 83 104 THR HG2 H 1.146 0.04 1 838 83 104 THR C C 175.833 0.40 1 839 83 104 THR CA C 65.750 0.40 1 840 83 104 THR CB C 68.543 0.40 1 841 83 104 THR CG2 C 21.910 0.40 1 842 83 104 THR N N 111.964 0.40 1 843 84 105 LEU H H 7.801 0.04 1 844 84 105 LEU HA H 4.083 0.04 1 845 84 105 LEU HB2 H 1.636 0.04 2 846 84 105 LEU HB3 H 1.208 0.04 2 847 84 105 LEU HG H 1.595 0.04 1 848 84 105 LEU HD1 H 0.320 0.04 2 849 84 105 LEU HD2 H 0.409 0.04 2 850 84 105 LEU C C 177.781 0.40 1 851 84 105 LEU CA C 55.978 0.40 1 852 84 105 LEU CB C 43.916 0.40 1 853 84 105 LEU CG C 26.303 0.40 1 854 84 105 LEU CD1 C 26.291 0.40 2 855 84 105 LEU CD2 C 22.825 0.40 2 856 84 105 LEU N N 120.123 0.40 1 857 85 106 ASN H H 8.448 0.04 1 858 85 106 ASN HA H 5.081 0.04 1 859 85 106 ASN HB2 H 2.711 0.04 2 860 85 106 ASN HB3 H 2.711 0.04 2 861 85 106 ASN C C 176.638 0.40 1 862 85 106 ASN CA C 53.003 0.40 1 863 85 106 ASN CB C 39.482 0.40 1 864 85 106 ASN N N 118.486 0.40 1 865 86 107 HIS H H 7.726 0.04 1 866 86 107 HIS N N 122.935 0.40 1 867 87 108 GLY HA2 H 3.933 0.04 2 868 87 108 GLY HA3 H 3.642 0.04 2 869 87 108 GLY C C 174.190 0.40 1 870 87 108 GLY CA C 45.633 0.40 1 871 88 109 SER H H 8.366 0.04 1 872 88 109 SER HA H 4.955 0.04 1 873 88 109 SER HB2 H 4.115 0.04 2 874 88 109 SER HB3 H 4.115 0.04 2 875 88 109 SER C C 174.086 0.40 1 876 88 109 SER CA C 57.683 0.40 1 877 88 109 SER CB C 61.507 0.40 1 878 88 109 SER N N 111.003 0.40 1 879 89 110 LEU H H 6.432 0.04 1 880 89 110 LEU HA H 4.650 0.04 1 881 89 110 LEU HB2 H 1.646 0.04 2 882 89 110 LEU HB3 H 1.580 0.04 2 883 89 110 LEU HG H 1.736 0.04 1 884 89 110 LEU HD1 H 0.788 0.04 2 885 89 110 LEU HD2 H 0.769 0.04 2 886 89 110 LEU C C 178.024 0.40 1 887 89 110 LEU CA C 54.124 0.40 1 888 89 110 LEU CB C 44.910 0.40 1 889 89 110 LEU CG C 26.863 0.40 1 890 89 110 LEU CD1 C 26.423 0.40 2 891 89 110 LEU CD2 C 22.786 0.40 2 892 89 110 LEU N N 118.176 0.40 1 893 90 111 THR H H 8.607 0.04 1 894 90 111 THR HA H 4.592 0.04 1 895 90 111 THR HB H 4.968 0.04 1 896 90 111 THR HG2 H 1.423 0.04 1 897 90 111 THR C C 175.903 0.40 1 898 90 111 THR CA C 60.673 0.40 1 899 90 111 THR CB C 70.736 0.40 1 900 90 111 THR CG2 C 22.883 0.40 1 901 90 111 THR N N 110.462 0.40 1 902 91 112 SER H H 9.453 0.04 1 903 91 112 SER N N 118.321 0.40 1 904 92 113 ARG HA H 4.103 0.04 1 905 92 113 ARG HB2 H 1.941 0.04 2 906 92 113 ARG HB3 H 1.841 0.04 2 907 92 113 ARG HG2 H 1.702 0.04 2 908 92 113 ARG HG3 H 1.646 0.04 2 909 92 113 ARG HD2 H 3.202 0.04 2 910 92 113 ARG HD3 H 3.278 0.04 2 911 92 113 ARG CA C 59.239 0.40 1 912 92 113 ARG CB C 29.920 0.40 1 913 92 113 ARG CG C 26.893 0.40 1 914 92 113 ARG CD C 43.126 0.40 1 915 93 114 GLU HA H 3.860 0.04 1 916 93 114 GLU HB2 H 1.940 0.04 2 917 93 114 GLU HB3 H 1.940 0.04 2 918 93 114 GLU HG2 H 2.275 0.04 2 919 93 114 GLU HG3 H 2.249 0.04 2 920 93 114 GLU C C 179.068 0.40 1 921 93 114 GLU CA C 59.049 0.40 1 922 93 114 GLU CB C 30.221 0.40 1 923 93 114 GLU CG C 37.662 0.40 1 924 94 115 VAL H H 8.091 0.04 1 925 94 115 VAL HA H 3.311 0.04 1 926 94 115 VAL HB H 1.871 0.04 1 927 94 115 VAL HG1 H 0.549 0.04 2 928 94 115 VAL HG2 H 0.391 0.04 2 929 94 115 VAL C C 177.379 0.40 1 930 94 115 VAL CA C 66.093 0.40 1 931 94 115 VAL CB C 31.508 0.40 1 932 94 115 VAL CG1 C 23.425 0.40 2 933 94 115 VAL CG2 C 20.257 0.40 2 934 94 115 VAL N N 119.970 0.40 1 935 95 116 THR H H 7.845 0.04 1 936 95 116 THR HA H 3.729 0.04 1 937 95 116 THR HB H 4.316 0.04 1 938 95 116 THR HG2 H 1.205 0.04 1 939 95 116 THR C C 176.215 0.40 1 940 95 116 THR CA C 66.599 0.40 1 941 95 116 THR CB C 68.687 0.40 1 942 95 116 THR CG2 C 21.641 0.40 1 943 95 116 THR N N 115.535 0.40 1 944 96 117 VAL H H 7.664 0.04 1 945 96 117 VAL HA H 3.798 0.04 1 946 96 117 VAL HB H 2.103 0.04 1 947 96 117 VAL HG1 H 1.028 0.04 2 948 96 117 VAL HG2 H 0.937 0.04 2 949 96 117 VAL C C 175.102 0.40 1 950 96 117 VAL CA C 65.510 0.40 1 951 96 117 VAL CB C 31.933 0.40 1 952 96 117 VAL CG1 C 22.089 0.40 2 953 96 117 VAL CG2 C 21.047 0.40 2 954 96 117 VAL N N 120.828 0.40 1 955 97 118 LEU H H 7.933 0.04 1 956 97 118 LEU HA H 4.067 0.04 1 957 97 118 LEU HB2 H 1.804 0.04 2 958 97 118 LEU HB3 H 1.366 0.04 2 959 97 118 LEU HG H 1.737 0.04 1 960 97 118 LEU HD1 H 0.824 0.04 2 961 97 118 LEU HD2 H 0.833 0.04 2 962 97 118 LEU CA C 57.555 0.40 1 963 97 118 LEU CB C 41.864 0.40 1 964 97 118 LEU CG C 26.963 0.40 1 965 97 118 LEU CD1 C 25.619 0.40 2 966 97 118 LEU CD2 C 23.375 0.40 2 967 97 118 LEU N N 120.153 0.40 1 968 99 120 GLU HA H 4.093 0.04 1 969 99 120 GLU HB2 H 2.106 0.04 2 970 99 120 GLU HB3 H 2.179 0.04 2 971 99 120 GLU HG2 H 2.411 0.04 2 972 99 120 GLU HG3 H 2.233 0.04 2 973 99 120 GLU C C 178.382 0.40 1 974 99 120 GLU CA C 58.911 0.40 1 975 99 120 GLU CB C 29.473 0.40 1 976 99 120 GLU CG C 36.632 0.40 1 977 100 121 ILE H H 7.789 0.04 1 978 100 121 ILE HA H 3.974 0.04 1 979 100 121 ILE HB H 1.987 0.04 1 980 100 121 ILE HG12 H 1.604 0.04 2 981 100 121 ILE HG13 H 1.233 0.04 2 982 100 121 ILE HG2 H 0.904 0.04 1 983 100 121 ILE HD1 H 0.835 0.04 1 984 100 121 ILE CA C 63.323 0.40 1 985 100 121 ILE CB C 38.192 0.40 1 986 100 121 ILE CG1 C 27.905 0.40 1 987 100 121 ILE CG2 C 17.541 0.40 1 988 100 121 ILE CD1 C 13.300 0.40 1 989 100 121 ILE N N 118.195 0.40 1 990 101 122 GLU HA H 4.092 0.04 1 991 101 122 GLU HB2 H 2.076 0.04 2 992 101 122 GLU HB3 H 2.076 0.04 2 993 101 122 GLU C C 178.107 0.40 1 994 101 122 GLU CA C 59.021 0.40 1 995 101 122 GLU CB C 29.529 0.40 1 996 102 123 MET H H 8.023 0.04 1 997 102 123 MET HA H 4.402 0.04 1 998 102 123 MET HB2 H 2.553 0.04 2 999 102 123 MET HB3 H 2.689 0.04 2 1000 102 123 MET HG2 H 2.161 0.04 2 1001 102 123 MET HG3 H 2.075 0.04 2 1002 102 123 MET C C 177.243 0.40 1 1003 102 123 MET CA C 56.523 0.40 1 1004 102 123 MET CB C 32.073 0.40 1 1005 102 123 MET CG C 32.779 0.40 1 1006 102 123 MET N N 117.553 0.40 1 1007 103 124 LEU H H 7.894 0.04 1 1008 103 124 LEU HA H 4.264 0.04 1 1009 103 124 LEU HB2 H 1.582 0.04 2 1010 103 124 LEU HB3 H 1.582 0.04 2 1011 103 124 LEU C C 178.386 0.40 1 1012 103 124 LEU CA C 56.337 0.40 1 1013 103 124 LEU CB C 42.421 0.40 1 1014 103 124 LEU N N 121.207 0.40 1 1015 104 125 GLU H H 8.296 0.04 1 1016 104 125 GLU HA H 4.456 0.04 1 1017 104 125 GLU HB2 H 1.933 0.04 2 1018 104 125 GLU HB3 H 1.933 0.04 2 1019 104 125 GLU HG2 H 2.067 0.04 2 1020 104 125 GLU HG3 H 2.067 0.04 2 1021 104 125 GLU C C 175.934 0.40 1 1022 104 125 GLU CA C 55.759 0.40 1 1023 104 125 GLU CB C 33.545 0.40 1 1024 104 125 GLU CG C 33.545 0.40 1 1025 104 125 GLU N N 119.568 0.40 1 1026 105 126 ASN H H 8.322 0.04 1 1027 105 126 ASN HA H 4.598 0.04 1 1028 105 126 ASN HB2 H 2.738 0.04 2 1029 105 126 ASN HB3 H 2.605 0.04 2 1030 105 126 ASN CA C 54.592 0.40 1 1031 105 126 ASN CB C 40.893 0.40 1 1032 105 126 ASN N N 120.735 0.40 1 1033 106 127 MET HA H 4.200 0.04 1 1034 106 127 MET C C 176.676 0.40 1 1035 106 127 MET CA C 57.271 0.40 1 1036 107 128 ASP H H 8.145 0.04 1 1037 107 128 ASP HA H 4.648 0.04 1 1038 107 128 ASP HB2 H 2.938 0.04 2 1039 107 128 ASP HB3 H 2.775 0.04 2 1040 107 128 ASP C C 175.274 0.40 1 1041 107 128 ASP CA C 53.394 0.40 1 1042 107 128 ASP CB C 38.432 0.40 1 1043 107 128 ASP N N 118.045 0.40 1 1044 108 129 LEU H H 8.070 0.04 1 1045 108 129 LEU HA H 4.306 0.04 1 1046 108 129 LEU HB2 H 1.613 0.04 2 1047 108 129 LEU HB3 H 1.613 0.04 2 1048 108 129 LEU C C 177.941 0.40 1 1049 108 129 LEU CA C 55.593 0.40 1 1050 108 129 LEU CB C 42.383 0.40 1 1051 108 129 LEU N N 119.313 0.40 1 1052 109 130 LEU H H 8.084 0.04 1 1053 109 130 LEU HA H 4.312 0.04 1 1054 109 130 LEU HB2 H 1.758 0.04 2 1055 109 130 LEU HB3 H 1.605 0.04 2 1056 109 130 LEU HG H 1.596 0.04 1 1057 109 130 LEU HD1 H 0.891 0.04 2 1058 109 130 LEU C C 178.051 0.40 1 1059 109 130 LEU CA C 56.023 0.40 1 1060 109 130 LEU CB C 42.052 0.40 1 1061 109 130 LEU CG C 27.252 0.40 1 1062 109 130 LEU CD1 C 25.271 0.40 2 1063 109 130 LEU N N 120.754 0.40 1 1064 110 131 SER H H 8.143 0.04 1 1065 110 131 SER HA H 4.343 0.04 1 1066 110 131 SER HB2 H 3.855 0.04 2 1067 110 131 SER HB3 H 3.855 0.04 2 1068 110 131 SER CA C 59.177 0.40 1 1069 110 131 SER CB C 63.400 0.40 1 1070 110 131 SER N N 115.464 0.40 1 1071 112 133 TYR HA H 4.535 0.04 1 1072 112 133 TYR HB2 H 3.048 0.04 2 1073 112 133 TYR HB3 H 3.004 0.04 2 1074 112 133 TYR C C 175.228 0.40 1 1075 112 133 TYR CA C 57.623 0.40 1 1076 112 133 TYR CB C 39.681 0.40 1 1077 113 134 GLN H H 8.198 0.04 1 1078 113 134 GLN HA H 4.240 0.04 1 1079 113 134 GLN HB2 H 2.029 0.04 2 1080 113 134 GLN HB3 H 1.901 0.04 2 1081 113 134 GLN HG2 H 2.301 0.04 2 1082 113 134 GLN HG3 H 2.301 0.04 2 1083 113 134 GLN C C 175.570 0.40 1 1084 113 134 GLN CA C 55.698 0.40 1 1085 113 134 GLN CB C 29.357 0.40 1 1086 113 134 GLN CG C 33.750 0.40 1 1087 113 134 GLN N N 122.609 0.40 1 1088 114 135 LEU H H 8.058 0.04 1 1089 114 135 LEU HA H 4.282 0.04 1 1090 114 135 LEU HB2 H 1.632 0.04 2 1091 114 135 LEU HB3 H 1.632 0.04 2 1092 114 135 LEU HD1 H 0.921 0.04 2 1093 114 135 LEU HD2 H 0.869 0.04 2 1094 114 135 LEU C C 177.417 0.40 1 1095 114 135 LEU CA C 55.286 0.40 1 1096 114 135 LEU CB C 42.513 0.40 1 1097 114 135 LEU CD1 C 24.943 0.40 2 1098 114 135 LEU CD2 C 23.469 0.40 2 1099 114 135 LEU N N 123.072 0.40 1 1100 115 136 GLU H H 8.333 0.04 1 1101 115 136 GLU HA H 4.284 0.04 1 1102 115 136 GLU HB2 H 2.084 0.04 2 1103 115 136 GLU HB3 H 1.965 0.04 2 1104 115 136 GLU C C 179.159 0.40 1 1105 115 136 GLU CA C 56.901 0.40 1 1106 115 136 GLU CB C 29.878 0.40 1 1107 115 136 GLU N N 121.837 0.40 1 1108 116 137 GLU H H 8.340 0.04 1 1109 116 137 GLU HA H 4.849 0.04 1 1110 116 137 GLU HB2 H 2.062 0.04 2 1111 116 137 GLU HB3 H 1.936 0.04 2 1112 116 137 GLU HG2 H 2.621 0.04 2 1113 116 137 GLU HG3 H 2.550 0.04 2 1114 116 137 GLU CA C 52.966 0.40 1 1115 116 137 GLU CB C 32.681 0.40 1 1116 116 137 GLU N N 118.901 0.40 1 stop_ save_